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CAS No.: | 118307-04-3 |
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Name: | 5-Chloroacetyl-6-chloro-1,3-dihydro-2H-indole-2-one |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H7Cl2NO2 |
Molecular Weight: | 244.077 |
Synonyms: | 2H-Indol-2-one,6-chloro-5-(chloroacetyl)-1,3-dihydro- (9CI);5-(2-Chloroacetyl)-6-chloro-2-oxindole;5-(2-Chloroacetyl)-6-chlorooxindole;6-Chloro-5-(2-chloroacetyl)indolin-2-one;6-Chloro-5-chloroacetyl-2-oxoindoline; |
EINECS: | 601-518-5 |
Density: | 1.471 g/cm3 |
Melting Point: | 202-206 °C |
Boiling Point: | 430.1 °C at 760 mmHg |
Flash Point: | 213.9 °C |
Appearance: | Light brown solid |
Hazard Symbols: | Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 46.17000 |
LogP: | 2.39410 |
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The 5-Chloroacetyl-6-chloro-1,3-dihydro-2H-indole-2-one, with CAS registry number 118307-04-3, belongs to the following product categories: (1)blocks; (2)IndolesOxindoles; (3)Indoles and derivatives; (4)Indoline & Oxindole; (5)Intermediates & Fine Chemicals; (6)Pharmaceuticals. It has the systematic name of 5-(Chloroacetyl)-1H-indol-6-yl hypochlorite. This chemical is a kind of light brown solid.
Physical properties of 5-Chloroacetyl-6-chloro-1,3-dihydro-2H-indole-2-one: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.21; (6)ACD/BCF (pH 7.4): 40.21; (7)ACD/KOC (pH 5.5): 489.76; (8)ACD/KOC (pH 7.4): 489.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.09 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 60.3 cm3; (15)Molar Volume: 163.6 cm3; (16)Polarizability: 23.9×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Enthalpy of Vaporization: 68.56 kJ/mol; (19)Vapour Pressure: 1.33E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Chloroacetyl-6-chloro-1,3-dihydro-2H-indole-2-one may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1cc(c(c2)OCl)C(=O)CCl
(2)InChI: InChI=1/C10H7Cl2NO2/c11-5-9(14)7-3-6-1-2-13-8(6)4-10(7)15-12/h1-4,13H,5H2
(3)InChIKey: OBXUTNQIPGPRKX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H7Cl2NO2/c11-5-9(14)7-3-6-1-2-13-8(6)4-10(7)15-12/h1-4,13H,5H2
(5)Std. InChIKey: OBXUTNQIPGPRKX-UHFFFAOYSA-N